3-(Morpholin-4-yl)propanoic acid

HCID 410813CAS 4497-04-5

기본 정보

표준 SMILES: O=C(O)CCN1CCOCC1
InChIKey: YUYHRSGXZZVNMS-UHFFFAOYSA-N
분자식: C7H13NO3
평균 분자량: 159.18 g/mol
단동위원소 질량: 159.08954328

이름 및 식별자

우선 이름: 3-(Morpholin-4-yl)propanoic acid
IUPAC: 3-morpholin-4-ylpropanoic acid
영어명: 3-Morpholin-4-yl-propionic acid
분자식: C7H13NO3
분자량: 159.18

이름 및 동의어

4497-04-53-(morpholin-4-yl)propanoic acidDTXSID10328500RefChem:275735DTXCID302796063-Morpholinopropanoic acid3-Morpholin-4-yl-propionic acid4-Morpholinepropionic acid3-morpholin-4-ylpropanoic acid4-Morpholinepropanoic acidMFCD020893113-(4-Morpholinyl)propionic acid

이름 더 보기

AKOS BB-5602AKOS BBS-00002594BUTTPARK 145\04-88CHEMBRDG-BB 4010141RARECHEM AL BO 15123-Morpholin-4-yl-propionicaci

3-(4-morpholinyl)propanoic acid3-(4-Morpholinyl)propionic acid; 3-(Morpholino)propanoic acid; 3-Morpholinopropionic acid;N-(2-Carboxyethyl)morpholine3-Morpholinopropanoicacid3-morpholinopropionic acidTIMTEC-BB SBB010411Oprea1_024812Oprea1_797342SCHEMBL545027

데이터베이스 식별자

CAS: 4497-04-5
PubChem CID: 410813
DTXSID: DTXSID10328500
ChEMBL: CHEMBL1623240
EC Number: 803-921-3
Nikkaji: J92.374E

물성

구조 계산 물성

XLogP: -2.9
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 132

물리화학적 성질

녹는점: 74 · 74-76 °C
끓는 점: 174 · 174-176 °C(Press: 2 Torr)
밀도: 1.159 · 1.159±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 3.74 · 3.74±0.10(Predicted)
InChI: InChI=1S/C7H13NO3/c9-7(10)1-2-8-3-5-11-6-4-8/h1-6H2,(H,9,10)
InChIKey: YUYHRSGXZZVNMS-UHFFFAOYSA-N
SMILES: N1(CCC(O)=O)CCOCC1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (97.4%)；STOT SE 3 (100%)

안전 데이터

hazard_code: Xi
위험 등급: IRRITANT

화학 및 산업

상·하류 제품 정보

상류 원료

클로로포름 1.4-다이옥세인 염산 디클로로메탄 메틸알콜 수산화나트륨 아크릴산메틸 이소프로필아민 모르폴린 메틸3-모르폴리노프로피오네이트

공급사49 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

郑州汇聚化工有限公司13393710386 · [email protected]

연결된 노트

불러오는 중…